1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol

C14H15ClOS — CID 65149922

IUPAC1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClOS/c15-14-10-9-13(17-14)12(16)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12,16H,4,7-8H2
InChIKeySPFSLMFTYYUAHW-UHFFFAOYSA-N
MW266.79 g/mol
LogP4.46
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol

1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol (PubChem CID 65149922) has the molecular formula C14H15ClOS and a molecular weight of 266.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol
PubChem CID65149922
Molecular FormulaC14H15ClOS
Molecular Weight266.79 g/mol
Exact Mass266.05
IUPAC Name1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClOS/c15-14-10-9-13(17-14)12(16)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12,16H,4,7-8H2
InChIKeySPFSLMFTYYUAHW-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol
CID 105119774
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105119687
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-1-ethyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111502072
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333254
1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol
CID 63895314
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111501898
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
CID 102829973
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119763
[1-(5-chlorothiophen-2-yl)-2-phenylethyl]hydrazine
CID 105195292

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol (CID 65149922) is 1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol is OC(CCCc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol?
The InChIKey is SPFSLMFTYYUAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClOS/c15-14-10-9-13(17-14)12(16)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12,16H,4,7-8H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol?
1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol has a molecular weight of 266.79 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol is sourced from PubChem (CID 65149922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).